Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : A4J

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 45


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 N3 N N1 N N N 0 -2.35 0.661 -0.84
2 C4 C C1 N N N 0 2.628 -1.934 -0.335
3 N2 N N2 N Y N 0 -0.397 -0.424 -0.138
4 C7 C C2 N Y N 0 1.624 0.757 0.217
5 C6 C C3 N Y N 0 0.88 -0.436 0.209
6 C9 C C4 N Y N 0 -0.332 1.915 -0.498
7 C13 C C5 S N N 0 -4.522 0.806 0.169
8 C8 C C6 N Y N 0 0.991 1.954 -0.148
9 C16 C C7 N N N 0 3.006 0.75 0.593
10 C1 C C8 N N N 0 1.308 -5.089 1.032
11 C2 C C9 S N N 0 1.378 -3.984 -0.023
12 C3 C C10 N N N 0 2.827 -3.46 -0.155
13 N1 N N3 N N N 0 1.486 -1.628 0.565
14 C5 C C11 N N N 0 0.548 -2.762 0.425
15 C10 C C12 N Y N 0 -1.011 0.698 -0.485
16 C11 C C13 N N N 0 -2.879 -0.713 -0.761
17 C12 C C14 S N N 0 -4.086 -0.683 0.2
18 C14 C C15 N N N 0 -3.157 1.528 0.045
19 O1 O O1 N N N 0 -5.186 1.17 1.381
20 O2 O O2 N N N 0 -5.135 -1.527 -0.279
21 C15 C C16 N N N 0 1.75 3.256 -0.153
22 F1 F F1 N N N 0 0.898 4.292 -0.551
23 F2 F F2 N N N 0 2.234 3.519 1.133
24 F3 F F3 N N N 0 2.824 3.166 -1.046
25 N4 N N4 N N N 0 4.102 0.745 0.892
26 O3 O O3 N N N 0 0.907 -4.469 -1.281
27 H9 H H1 N N N 0 3.52 -1.39 -0.023
28 H8 H H2 N N N 0 2.377 -1.697 -1.369
29 H12 H H3 N N N 0 -0.845 2.821 -0.784
30 H2 H H4 N N N 0 -5.153 1.01 -0.696
31 H3 H H5 N N N 0 0.27 -5.395 1.169
32 H5 H H6 N N N 0 1.898 -5.944 0.703
33 H4 H H7 N N N 0 1.704 -4.716 1.977
34 H7 H H8 N N N 0 3.314 -3.891 -1.03
35 H6 H H9 N N N 0 3.397 -3.671 0.749
36 H11 H H10 N N N 0 -0.206 -2.53 -0.327
37 H10 H H11 N N N 0 0.069 -2.969 1.382
38 H14 H H12 N N N 0 -3.201 -1.043 -1.749
39 H13 H H13 N N N 0 -2.112 -1.385 -0.377
40 H1 H H14 N N N 0 -3.785 -0.975 1.206
41 H16 H H15 N N N 0 -2.684 1.617 1.023
42 H15 H H16 N N N 0 -3.288 2.512 -0.406
43 H17 H H17 N N N 0 -5.434 2.104 1.427
44 H18 H H18 N N N 0 -4.914 -2.468 -0.28
45 H19 H H19 N N N 0 1.406 -5.224 -1.623